Geometry & MOs

Info

ID:	303484
PubChem CID:	124489801
Reduced:	N2O6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	314.121927
ΔH_f, kcal/mol:	-180.55
Dipole, Da:	4.53
IP(EA), eV:	-8.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@@H](CO)N

DOS

IR

Vibrations